SCHEMBL4960645

SCHEMBL4960645

CCCCc1nc2ccccc2c(=O)n1-c1cccc(N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
MAPK1 P28482 1/20 0.67
USP2 O75604 1/20 0.64
ALDH1A1 P00352 4/20 0.61
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
TSHR P16473 1/20 0.55
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 1/20 0.54
PDE10A Q9Y233 2/20 0.53
GAA P10253 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4958449 0.87 LMNA (0.65) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL4958923 0.87 LMNA (0.80) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL27897708 0.86 LMNA (0.65) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL4959299 0.86 LMNA (0.63) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL4958469 0.83 LMNA (0.74) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL28453421 0.83 LMNA (0.77) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL4961220 0.82 LMNA (0.76) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL4959093 0.81 LMNA (0.63) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL4957083 0.81 LMNA (0.77) LMNAMAPK1USP2ALDH1A1ATM
SCHEMBL4957089 0.81 LMNA (1.00) LMNAMAPK1USP2ALDH1A1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO claimed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed